8ZK7

Crystal structure of the Decarboxylase KDC4427 mutant E468L from Enterobacter sp. CGMCC 5087

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	116.604, 137.054, 77.488
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.530 - 2.320
R-factor	0.205
Rwork	0.203
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.006
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.580	2.380
High resolution limit [Å]	2.320	2.320
Rmerge	0.216	1.254
Rmeas	0.235	1.364
Rpim	0.093	0.530
Total number of observations	349686	26216
Number of reflections	54533	3991
<I/σ(I)>	4.7	1.5
Completeness [%]	100.0
Redundancy	6.4	6.6
CC(1/2)	0.985	0.767

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M calcium acetate, 0.1M sodium MES, pH 6.0, 13% PEG 400